PLMD::repliedTrajectory Class Reference

a decorator for replicating the atomic distribution More...

Inheritance diagram for PLMD::repliedTrajectory:

Public Member Functions
	repliedTrajectory (std::unique_ptr< AtomDistribution > &&d, const unsigned repeatX, const unsigned repeatY, const unsigned repeatZ)
void	frame (std::vector< Vector > &posToUpdate, std::vector< double > &box, unsigned step, Random &rng)
	Update the input vectors with the position and the box of the frame.
void	frame (View< Vector > posToUpdate, View< double, 9 > box, unsigned step, Random &rng) override
	Generates the inner trajectory of (nat)/(rX*rY*rZ), where nat is the dimension of the vector view, then it replicate the atoms in the various directions.
bool	overrideNat (unsigned &natoms) override
	See the documentation the AtomDistribution.

Static Public Member Functions
static std::unique_ptr< AtomDistribution >	decorate (std::unique_ptr< AtomDistribution > &&d, std::string_view cmd)
static std::unique_ptr< AtomDistribution >	decorateAtomDistribution (std::unique_ptr< AtomDistribution > &&ad, std::string_view decoratorsDistr)
static std::unique_ptr< AtomDistribution >	getAtomDistribution (std::string_view atomicDistr)
static std::vector< documentation >	getDecoratorsDocumentation ()
static std::vector< std::string >	getDecoratorsList ()
static std::vector< documentation >	getDistributionDocumentation ()
static std::vector< std::string >	getDistributionList ()

Static Public Attributes
static constexpr auto	doc
static constexpr auto	id ="reply"

Private Attributes
std::unique_ptr< AtomDistribution >	distribution
unsigned	rX =1
unsigned	rY =1
unsigned	rZ =1

Detailed Description

a decorator for replicating the atomic distribution

Constructor & Destructor Documentation

repliedTrajectory()

PLMD::repliedTrajectory::repliedTrajectory ( std::unique_ptr< AtomDistribution > && d, const unsigned repeatX, const unsigned repeatY, const unsigned repeatZ )

inline

Member Function Documentation

decorate()

static std::unique_ptr< AtomDistribution > PLMD::repliedTrajectory::decorate ( std::unique_ptr< AtomDistribution > && d, std::string_view cmd )

inlinestatic

decorateAtomDistribution()

std::unique_ptr< AtomDistribution > PLMD::AtomDistribution::decorateAtomDistribution ( std::unique_ptr< AtomDistribution > && ad, std::string_view decoratorsDistr )

staticinherited

frame() [1/2]

void PLMD::AtomDistribution::frame ( std::vector< Vector > & posToUpdate, std::vector< double > & box, unsigned step, Random & rng )

inherited

Update the input vectors with the position and the box of the frame.

frame() [2/2]

void PLMD::repliedTrajectory::frame ( View< Vector > posToUpdate, View< double, 9 > box, unsigned step, Random & rng )

inlineoverridevirtual

Generates the inner trajectory of (nat)/(rX*rY*rZ), where nat is the dimension of the vector view, then it replicate the atoms in the various directions.

Implements PLMD::AtomDistribution.

getAtomDistribution()

std::unique_ptr< AtomDistribution > PLMD::AtomDistribution::getAtomDistribution ( std::string_view atomicDistr )

staticinherited

getDecoratorsDocumentation()

std::vector< AtomDistribution::documentation > PLMD::AtomDistribution::getDecoratorsDocumentation ( )

staticinherited

getDecoratorsList()

std::vector< std::string > PLMD::AtomDistribution::getDecoratorsList ( )

staticinherited

getDistributionDocumentation()

std::vector< AtomDistribution::documentation > PLMD::AtomDistribution::getDistributionDocumentation ( )

staticinherited

getDistributionList()

std::vector< std::string > PLMD::AtomDistribution::getDistributionList ( )

staticinherited

overrideNat()

bool PLMD::repliedTrajectory::overrideNat ( unsigned & natoms )

inlineoverridevirtual

See the documentation the AtomDistribution.

Reimplemented from PLMD::AtomDistribution.

Member Data Documentation

distribution

std::unique_ptr<AtomDistribution> PLMD::repliedTrajectory::distribution

private

doc

auto PLMD::repliedTrajectory::doc

staticconstexpr

Initial value:

=R"=(replicate the box by the given in all the directions:
usage:
  reply x y z)="

id

auto PLMD::repliedTrajectory::id ="reply"

staticconstexpr

rX

unsigned PLMD::repliedTrajectory::rX =1

private

rY

unsigned PLMD::repliedTrajectory::rY =1

private

rZ

unsigned PLMD::repliedTrajectory::rZ =1

private

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The documentation for this class was generated from the following file:

• tools/AtomDistribution.cpp